(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid

C15H14N2O4 — CID 93310081

IUPAC(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid
SMILESCOc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cn1
InChIInChI=1S/C15H14N2O4/c1-21-12-8-7-11(9-16-12)14(18)17-13(15(19)20)10-5-3-2-4-6-10/h2-9,13H,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyKOURPGXKBBXUJJ-ZDUSSCGKSA-N
MW286.29 g/mol
LogP1.65
Rot. Bonds5

About (2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid

(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid (PubChem CID 93310081) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid
PubChem CID93310081
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid
SMILESCOc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cn1
InChIInChI=1S/C15H14N2O4/c1-21-12-8-7-11(9-16-12)14(18)17-13(15(19)20)10-5-3-2-4-6-10/h2-9,13H,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyKOURPGXKBBXUJJ-ZDUSSCGKSA-N
XLogP1.65
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062
3-hydroxy-2-[(6-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43353726
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455
(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367895
(2R)-5-methoxy-2-[(6-methoxypyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820810
N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 47124570
(2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906521
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide
CID 94608879
6-methoxy-N-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 134031462
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 46975630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid (CID 93310081) is (2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid is COc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cn1.
What is the InChIKey of (2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is KOURPGXKBBXUJJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-12-8-7-11(9-16-12)14(18)17-13(15(19)20)10-5-3-2-4-6-10/h2-9,13H,1H3,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 286.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 93310081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).